CAS RN: 2170987-85-4
alpha-aMine-oMega-propionic acid decaethylene glycol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250428 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2170987-85-4
- Purity/Analytical Methods: >99.0%
2170987-85-4 / 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
2170987-85-4
Multi CAS
No
Molecular Formula
C23H47NO12
Molecular Weight
529.600000
Exact Mass
529.309826
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN)C(=O)O
InChI
InChI=1S/C23H47NO12/c24-2-4-28-6-8-30-10-12-32-14-16-34-18-20-36-22-21-35-19-17-33-15-13-31-11-9-29-7-5-27-3-1-23(25)26/h1-22,24H2,(H,25,26)
InChIKey
SVXUSQJNNODUGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Fraction Csp3
0.96
Rotatable bonds
32
H-bond acceptors
12
H-bond donors
2
Molar refractivity
129.5
TPSA
155.62
LogP / Solubility
WLOGP
-0.41
MLOGP
-0.32
XLogP3
-5
Consensus LogP
-1.91
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-6.6
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.24
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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